(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide

C19H21N3O3S — CID 143392846

IUPAC(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide
SMILESCS(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H21N3O3S/c1-26(24)16-11-9-14(10-12-16)18(22-25-15-6-2-3-7-15)19(23)21-17-8-4-5-13-20-17/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,20,21,23)/b22-18+
InChIKeyBHZUNXSPRAUMTE-RELWKKBWSA-N
MW371.46 g/mol
LogP3.12
Rot. Bonds6

About (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide

(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide (PubChem CID 143392846) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide
PubChem CID143392846
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide
SMILESCS(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H21N3O3S/c1-26(24)16-11-9-14(10-12-16)18(22-25-15-6-2-3-7-15)19(23)21-17-8-4-5-13-20-17/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,20,21,23)/b22-18+
InChIKeyBHZUNXSPRAUMTE-RELWKKBWSA-N
XLogP3.12
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide (CID 143392846) is (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide is CS(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide?
The InChIKey is BHZUNXSPRAUMTE-RELWKKBWSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26(24)16-11-9-14(10-12-16)18(22-25-15-6-2-3-7-15)19(23)21-17-8-4-5-13-20-17/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,20,21,23)/b22-18+.
What are the key properties of (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide?
(2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide has a molecular weight of 371.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyclopentyloxyimino-2-(4-methylsulfinylphenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 143392846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).